Cas no 125817-98-3 (1-Methyl-5-fluoro-1H-indole-3-carbonitrile)
125817-98-3 structure
Product Name:1-Methyl-5-fluoro-1H-indole-3-carbonitrile
CAS No:125817-98-3
MF:C10H7FN2
MW:174.174385309219
CID:2107794
Update Time:2023-08-03
1-Methyl-5-fluoro-1H-indole-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-fluoro-1-methyl-1H-Indole-3-carbonitrile
- 1-Methyl-5-fluoro-1H-indole-3-carbonitrile
- 1H-Indole-3-carbonitrile, 5-fluoro-1-methyl-
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- Inchi： 1S/C10H7FN2/c1-13-6-7(5-12)9-4-8(11)2-3-10(9)13/h2-4,6H,1H3
- InChI Key： XKOMJZKKKPWVSB-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C=1)C(C#N)=CN2C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 245
- Topological Polar Surface Area: 28.7
1-Methyl-5-fluoro-1H-indole-3-carbonitrile Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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